CID 3069442

3,4-piperidinediol, 6-phenyl-1,3,4-trimethyl-, (3-alpha,4-alpha,6-alpha)-

Structural Information

Molecular Formula
C14H21NO2
SMILES
C[C@]1(C[C@@H](N(C[C@]1(C)O)C)C2=CC=CC=C2)O
InChI
InChI=1S/C14H21NO2/c1-13(16)9-12(11-7-5-4-6-8-11)15(3)10-14(13,2)17/h4-8,12,16-17H,9-10H2,1-3H3/t12-,13-,14+/m1/s1
InChIKey
ZHQCINFMVJHYIV-MCIONIFRSA-N
Compound name
(3S,4R,6R)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 154.6
[M+Na]+ 258.14645 167.0
[M+NH4]+ 253.19105 165.4
[M+K]+ 274.12039 157.1
[M-H]- 234.14995 157.5
[M+Na-2H]- 256.13190 163.7
[M]+ 235.15668 157.5
[M]- 235.15778 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.